Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3641975 | 0.87 | CYP2C9 (0.39) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL3641583 | 0.87 | CYP1A2 (0.41) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6895745 | 0.81 | LMNA (0.47) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6887798 | 0.81 | GAA (0.45) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6892044 | 0.77 | LMNA (0.38) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL3649450 | 0.77 | TACR1 (0.46) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6895808 | 0.77 | SMN1; SMN2 (0.57) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6894577 | 0.76 | SMN1; SMN2 (0.40) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6894820 | 0.76 | CYP1A2 (0.60) | LMNAALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL6892337 | 0.75 | LMNA (0.52) | LMNACYP1A2CYP2D6CYP2C19MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205596-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |